USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.163 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 179:sc= -0.0471 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.282 K(o=-0.28,f=-3.4!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00816 USER MOD Single : A 76 GLN : amide:sc= -0.57 X(o=-0.57,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -8.251 8.372 -6.860 1.00 0.00 N ATOM 21 CA VAL A 2 -7.637 7.421 -5.884 1.00 0.00 C ATOM 22 C VAL A 2 -6.534 6.598 -6.555 1.00 0.00 C ATOM 23 O VAL A 2 -6.783 5.829 -7.462 1.00 0.00 O ATOM 24 CB VAL A 2 -8.779 6.508 -5.422 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.737 7.300 -4.530 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.543 5.969 -6.637 1.00 0.00 C ATOM 0 HA VAL A 2 -7.176 7.947 -5.048 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.362 5.672 -4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.549 6.651 -4.202 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.198 7.675 -3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.148 8.139 -5.092 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.352 5.321 -6.300 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.957 6.802 -7.205 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.863 5.400 -7.271 1.00 0.00 H new ATOM 36 N LYS A 3 -5.316 6.749 -6.109 1.00 0.00 N ATOM 37 CA LYS A 3 -4.195 5.972 -6.713 1.00 0.00 C ATOM 38 C LYS A 3 -3.228 5.505 -5.622 1.00 0.00 C ATOM 39 O LYS A 3 -2.815 6.276 -4.778 1.00 0.00 O ATOM 40 CB LYS A 3 -3.498 6.951 -7.656 1.00 0.00 C ATOM 41 CG LYS A 3 -4.252 7.010 -8.985 1.00 0.00 C ATOM 42 CD LYS A 3 -4.285 8.454 -9.488 1.00 0.00 C ATOM 43 CE LYS A 3 -5.690 9.030 -9.295 1.00 0.00 C ATOM 44 NZ LYS A 3 -6.083 9.540 -10.638 1.00 0.00 N ATOM 0 H LYS A 3 -5.048 7.378 -5.352 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.545 5.081 -7.234 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.460 7.942 -7.204 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.468 6.638 -7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.766 6.368 -9.720 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.267 6.635 -8.856 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.556 9.056 -8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.007 8.490 -10.541 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.385 8.267 -8.943 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.691 9.829 -8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.037 9.951 -10.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.407 10.269 -10.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.080 8.756 -11.322 1.00 0.00 H new ATOM 58 N ILE A 4 -2.852 4.255 -5.635 1.00 0.00 N ATOM 59 CA ILE A 4 -1.904 3.764 -4.604 1.00 0.00 C ATOM 60 C ILE A 4 -0.507 3.630 -5.215 1.00 0.00 C ATOM 61 O ILE A 4 -0.336 3.082 -6.286 1.00 0.00 O ATOM 62 CB ILE A 4 -2.461 2.422 -4.137 1.00 0.00 C ATOM 63 CG1 ILE A 4 -3.737 2.672 -3.336 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.439 1.708 -3.249 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.497 1.360 -3.170 1.00 0.00 C ATOM 0 H ILE A 4 -3.160 3.558 -6.313 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.806 4.446 -3.759 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.675 1.796 -5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.491 3.088 -2.359 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.362 3.405 -3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.847 0.752 -2.921 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.523 1.537 -3.814 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.219 2.326 -2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.408 1.537 -2.598 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.756 0.963 -4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.871 0.641 -2.641 1.00 0.00 H new ATOM 77 N ARG A 5 0.492 4.140 -4.548 1.00 0.00 N ATOM 78 CA ARG A 5 1.873 4.060 -5.094 1.00 0.00 C ATOM 79 C ARG A 5 2.889 4.039 -3.954 1.00 0.00 C ATOM 80 O ARG A 5 2.534 3.901 -2.804 1.00 0.00 O ATOM 81 CB ARG A 5 2.046 5.319 -5.944 1.00 0.00 C ATOM 82 CG ARG A 5 1.738 6.559 -5.102 1.00 0.00 C ATOM 83 CD ARG A 5 2.871 7.575 -5.258 1.00 0.00 C ATOM 84 NE ARG A 5 2.954 8.266 -3.938 1.00 0.00 N ATOM 85 CZ ARG A 5 4.012 8.975 -3.617 1.00 0.00 C ATOM 86 NH1 ARG A 5 5.025 9.085 -4.440 1.00 0.00 N ATOM 87 NH2 ARG A 5 4.056 9.577 -2.461 1.00 0.00 N ATOM 0 H ARG A 5 0.409 4.609 -3.646 1.00 0.00 H new ATOM 0 HA ARG A 5 2.031 3.154 -5.679 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.065 5.373 -6.328 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.382 5.280 -6.807 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.793 7.001 -5.418 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.626 6.281 -4.054 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.811 7.083 -5.506 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.660 8.281 -6.061 1.00 0.00 H new ATOM 0 HE ARG A 5 2.181 8.187 -3.278 1.00 0.00 H new ATOM 0 HH11 ARG A 5 5.000 8.616 -5.346 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.839 9.639 -4.175 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.272 9.495 -1.813 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.874 10.129 -2.204 1.00 0.00 H new ATOM 101 N LEU A 6 4.149 4.190 -4.259 1.00 0.00 N ATOM 102 CA LEU A 6 5.172 4.181 -3.174 1.00 0.00 C ATOM 103 C LEU A 6 5.378 5.593 -2.628 1.00 0.00 C ATOM 104 O LEU A 6 5.589 6.535 -3.367 1.00 0.00 O ATOM 105 CB LEU A 6 6.463 3.682 -3.829 1.00 0.00 C ATOM 106 CG LEU A 6 6.354 2.186 -4.125 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.684 1.682 -4.689 1.00 0.00 C ATOM 108 CD2 LEU A 6 6.027 1.419 -2.839 1.00 0.00 C ATOM 0 H LEU A 6 4.512 4.318 -5.203 1.00 0.00 H new ATOM 0 HA LEU A 6 4.867 3.549 -2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.648 4.231 -4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.311 3.870 -3.171 1.00 0.00 H new ATOM 0 HG LEU A 6 5.558 2.023 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.609 0.615 -4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.916 2.219 -5.609 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.476 1.852 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.951 0.354 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.818 1.583 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.079 1.774 -2.435 1.00 0.00 H new ATOM 120 N ALA A 7 5.315 5.743 -1.335 1.00 0.00 N ATOM 121 CA ALA A 7 5.504 7.091 -0.731 1.00 0.00 C ATOM 122 C ALA A 7 6.929 7.238 -0.210 1.00 0.00 C ATOM 123 O ALA A 7 7.267 6.742 0.842 1.00 0.00 O ATOM 124 CB ALA A 7 4.516 7.137 0.426 1.00 0.00 C ATOM 0 H ALA A 7 5.141 4.990 -0.670 1.00 0.00 H new ATOM 0 HA ALA A 7 5.340 7.894 -1.449 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.589 8.101 0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.504 7.002 0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.747 6.340 1.133 1.00 0.00 H new ATOM 130 N ARG A 8 7.763 7.909 -0.949 1.00 0.00 N ATOM 131 CA ARG A 8 9.177 8.086 -0.523 1.00 0.00 C ATOM 132 C ARG A 8 9.290 9.043 0.667 1.00 0.00 C ATOM 133 O ARG A 8 9.009 10.221 0.557 1.00 0.00 O ATOM 134 CB ARG A 8 9.864 8.690 -1.743 1.00 0.00 C ATOM 135 CG ARG A 8 11.382 8.620 -1.565 1.00 0.00 C ATOM 136 CD ARG A 8 11.927 10.032 -1.339 1.00 0.00 C ATOM 137 NE ARG A 8 12.157 10.577 -2.708 1.00 0.00 N ATOM 138 CZ ARG A 8 13.210 10.222 -3.407 1.00 0.00 C ATOM 139 NH1 ARG A 8 14.088 9.379 -2.924 1.00 0.00 N ATOM 140 NH2 ARG A 8 13.383 10.716 -4.603 1.00 0.00 N ATOM 0 H ARG A 8 7.524 8.347 -1.839 1.00 0.00 H new ATOM 0 HA ARG A 8 9.622 7.145 -0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.568 8.151 -2.643 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.551 9.726 -1.874 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.632 7.981 -0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.844 8.176 -2.447 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.218 10.645 -0.783 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.851 10.011 -0.761 1.00 0.00 H new ATOM 0 HE ARG A 8 11.487 11.235 -3.107 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.959 8.987 -1.991 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.901 9.114 -3.481 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.703 11.372 -4.987 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.198 10.446 -5.153 1.00 0.00 H new ATOM 276 N TYR A 17 9.515 3.183 0.932 1.00 0.00 N ATOM 277 CA TYR A 17 8.296 3.942 0.606 1.00 0.00 C ATOM 278 C TYR A 17 7.108 3.166 1.131 1.00 0.00 C ATOM 279 O TYR A 17 7.196 1.976 1.348 1.00 0.00 O ATOM 280 CB TYR A 17 8.181 3.961 -0.910 1.00 0.00 C ATOM 281 CG TYR A 17 9.458 4.374 -1.583 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.560 3.518 -1.586 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.520 5.599 -2.250 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.730 3.892 -2.245 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.687 5.973 -2.915 1.00 0.00 C ATOM 286 CZ TYR A 17 11.797 5.120 -2.913 1.00 0.00 C ATOM 287 OH TYR A 17 12.952 5.488 -3.572 1.00 0.00 O ATOM 0 HA TYR A 17 8.329 4.946 1.030 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.894 2.970 -1.261 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.384 4.645 -1.201 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.506 2.566 -1.078 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.664 6.257 -2.251 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.586 3.233 -2.240 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.735 6.920 -3.431 1.00 0.00 H new ATOM 0 HH TYR A 17 12.828 6.369 -3.983 1.00 0.00 H new ATOM 297 N ARG A 18 5.984 3.785 1.274 1.00 0.00 N ATOM 298 CA ARG A 18 4.804 3.005 1.704 1.00 0.00 C ATOM 299 C ARG A 18 3.907 2.854 0.494 1.00 0.00 C ATOM 300 O ARG A 18 3.974 3.641 -0.429 1.00 0.00 O ATOM 301 CB ARG A 18 4.104 3.813 2.788 1.00 0.00 C ATOM 302 CG ARG A 18 4.795 3.572 4.132 1.00 0.00 C ATOM 303 CD ARG A 18 3.748 3.252 5.200 1.00 0.00 C ATOM 304 NE ARG A 18 4.288 3.855 6.454 1.00 0.00 N ATOM 305 CZ ARG A 18 3.791 3.533 7.624 1.00 0.00 C ATOM 306 NH1 ARG A 18 2.794 2.688 7.725 1.00 0.00 N ATOM 307 NH2 ARG A 18 4.294 4.064 8.704 1.00 0.00 N ATOM 0 H ARG A 18 5.829 4.781 1.116 1.00 0.00 H new ATOM 0 HA ARG A 18 5.065 2.021 2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.130 4.874 2.539 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.054 3.525 2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.503 2.748 4.045 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.366 4.454 4.422 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.778 3.676 4.943 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.607 2.176 5.307 1.00 0.00 H new ATOM 0 HE ARG A 18 5.054 4.527 6.400 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.393 2.270 6.886 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.419 2.449 8.643 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.068 4.724 8.635 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.913 3.819 9.618 1.00 0.00 H new ATOM 321 N ILE A 19 3.040 1.902 0.499 1.00 0.00 N ATOM 322 CA ILE A 19 2.121 1.765 -0.640 1.00 0.00 C ATOM 323 C ILE A 19 0.867 2.445 -0.140 1.00 0.00 C ATOM 324 O ILE A 19 -0.052 1.836 0.372 1.00 0.00 O ATOM 325 CB ILE A 19 1.934 0.264 -0.913 1.00 0.00 C ATOM 326 CG1 ILE A 19 3.115 -0.565 -0.365 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.873 0.046 -2.422 1.00 0.00 C ATOM 328 CD1 ILE A 19 2.972 -2.033 -0.778 1.00 0.00 C ATOM 0 H ILE A 19 2.927 1.212 1.242 1.00 0.00 H new ATOM 0 HA ILE A 19 2.452 2.205 -1.581 1.00 0.00 H new ATOM 0 HB ILE A 19 1.017 -0.057 -0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.056 -0.164 -0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.149 -0.488 0.722 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.740 -1.015 -2.631 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.034 0.605 -2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.801 0.392 -2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.812 -2.605 -0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.041 -2.434 -0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.961 -2.106 -1.866 1.00 0.00 H new ATOM 340 N VAL A 20 0.909 3.745 -0.187 1.00 0.00 N ATOM 341 CA VAL A 20 -0.171 4.570 0.384 1.00 0.00 C ATOM 342 C VAL A 20 -1.163 5.018 -0.690 1.00 0.00 C ATOM 343 O VAL A 20 -0.941 4.858 -1.872 1.00 0.00 O ATOM 344 CB VAL A 20 0.616 5.740 1.028 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.587 7.010 0.166 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.044 6.053 2.406 1.00 0.00 C ATOM 0 H VAL A 20 1.670 4.277 -0.610 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.802 4.049 1.104 1.00 0.00 H new ATOM 0 HB VAL A 20 1.655 5.420 1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.152 7.799 0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.033 6.800 -0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.445 7.334 0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.602 6.876 2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.004 6.335 2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.125 5.172 3.042 1.00 0.00 H new ATOM 356 N VAL A 21 -2.277 5.536 -0.265 1.00 0.00 N ATOM 357 CA VAL A 21 -3.330 5.956 -1.220 1.00 0.00 C ATOM 358 C VAL A 21 -3.425 7.482 -1.270 1.00 0.00 C ATOM 359 O VAL A 21 -3.938 8.112 -0.367 1.00 0.00 O ATOM 360 CB VAL A 21 -4.645 5.352 -0.681 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.440 4.774 -1.843 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.382 4.226 0.325 1.00 0.00 C ATOM 0 H VAL A 21 -2.504 5.688 0.718 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.116 5.615 -2.233 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.196 6.148 -0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.370 4.346 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.666 5.565 -2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.854 3.997 -2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.332 3.827 0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.813 3.432 -0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.814 4.617 1.169 1.00 0.00 H new ATOM 372 N THR A 22 -2.937 8.080 -2.322 1.00 0.00 N ATOM 373 CA THR A 22 -3.004 9.564 -2.431 1.00 0.00 C ATOM 374 C THR A 22 -3.374 9.975 -3.857 1.00 0.00 C ATOM 375 O THR A 22 -3.813 9.169 -4.654 1.00 0.00 O ATOM 376 CB THR A 22 -1.600 10.058 -2.081 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.550 11.472 -2.205 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.576 9.428 -3.023 1.00 0.00 C ATOM 0 H THR A 22 -2.495 7.606 -3.110 1.00 0.00 H new ATOM 0 HA THR A 22 -3.760 9.988 -1.770 1.00 0.00 H new ATOM 0 HB THR A 22 -1.366 9.772 -1.055 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.651 11.789 -1.979 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.422 9.785 -2.767 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.610 8.343 -2.924 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.808 9.706 -4.051 1.00 0.00 H new ATOM 543 N TYR A 32 -1.469 11.601 1.518 1.00 0.00 N ATOM 544 CA TYR A 32 -2.403 10.504 1.110 1.00 0.00 C ATOM 545 C TYR A 32 -3.693 10.558 1.928 1.00 0.00 C ATOM 546 O TYR A 32 -3.862 11.391 2.797 1.00 0.00 O ATOM 547 CB TYR A 32 -1.664 9.183 1.385 1.00 0.00 C ATOM 548 CG TYR A 32 -0.962 9.243 2.724 1.00 0.00 C ATOM 549 CD1 TYR A 32 -1.702 9.161 3.908 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.430 9.386 2.777 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.051 9.219 5.146 1.00 0.00 C ATOM 552 CE2 TYR A 32 1.081 9.446 4.014 1.00 0.00 C ATOM 553 CZ TYR A 32 0.341 9.364 5.199 1.00 0.00 C ATOM 554 OH TYR A 32 0.984 9.423 6.418 1.00 0.00 O ATOM 0 HA TYR A 32 -2.680 10.601 0.060 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.371 8.354 1.374 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.938 8.993 0.594 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.776 9.053 3.867 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.001 9.450 1.863 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.622 9.152 6.060 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.155 9.556 4.054 1.00 0.00 H new ATOM 0 HH TYR A 32 1.948 9.523 6.275 1.00 0.00 H new ATOM 564 N ILE A 33 -4.601 9.663 1.652 1.00 0.00 N ATOM 565 CA ILE A 33 -5.887 9.635 2.401 1.00 0.00 C ATOM 566 C ILE A 33 -5.801 8.586 3.520 1.00 0.00 C ATOM 567 O ILE A 33 -6.449 8.697 4.543 1.00 0.00 O ATOM 568 CB ILE A 33 -6.932 9.245 1.347 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.190 10.441 0.426 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.244 8.838 2.022 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.370 9.950 -1.011 1.00 0.00 C ATOM 0 H ILE A 33 -4.506 8.945 0.934 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.134 10.584 2.878 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.554 8.401 0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.080 10.979 0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.357 11.142 0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.975 8.564 1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.067 7.986 2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.626 9.674 2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.554 10.802 -1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.467 9.432 -1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.218 9.266 -1.058 1.00 0.00 H new ATOM 583 N GLU A 34 -4.999 7.574 3.329 1.00 0.00 N ATOM 584 CA GLU A 34 -4.859 6.517 4.372 1.00 0.00 C ATOM 585 C GLU A 34 -3.650 5.631 4.054 1.00 0.00 C ATOM 586 O GLU A 34 -3.110 5.670 2.967 1.00 0.00 O ATOM 587 CB GLU A 34 -6.155 5.708 4.293 1.00 0.00 C ATOM 588 CG GLU A 34 -6.817 5.666 5.672 1.00 0.00 C ATOM 589 CD GLU A 34 -8.105 6.491 5.646 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.827 6.396 4.665 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.350 7.202 6.607 1.00 0.00 O ATOM 0 H GLU A 34 -4.433 7.433 2.493 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.701 6.931 5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.832 6.157 3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.944 4.696 3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.038 4.635 5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.136 6.060 6.426 1.00 0.00 H new ATOM 598 N LYS A 35 -3.217 4.835 4.993 1.00 0.00 N ATOM 599 CA LYS A 35 -2.042 3.952 4.740 1.00 0.00 C ATOM 600 C LYS A 35 -2.494 2.498 4.591 1.00 0.00 C ATOM 601 O LYS A 35 -3.040 1.914 5.507 1.00 0.00 O ATOM 602 CB LYS A 35 -1.157 4.111 5.976 1.00 0.00 C ATOM 603 CG LYS A 35 -0.206 5.293 5.777 1.00 0.00 C ATOM 604 CD LYS A 35 -0.346 6.264 6.951 1.00 0.00 C ATOM 605 CE LYS A 35 -0.020 5.538 8.259 1.00 0.00 C ATOM 606 NZ LYS A 35 -1.188 5.800 9.144 1.00 0.00 N ATOM 0 H LYS A 35 -3.626 4.758 5.924 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.517 4.217 3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.774 4.273 6.860 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.587 3.198 6.148 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.822 4.938 5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.433 5.803 4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.325 7.112 6.817 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.360 6.663 6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.119 4.470 8.094 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.903 5.915 8.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.040 5.334 10.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.291 6.825 9.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.051 5.424 8.701 1.00 0.00 H new ATOM 620 N ILE A 36 -2.279 1.906 3.446 1.00 0.00 N ATOM 621 CA ILE A 36 -2.710 0.487 3.260 1.00 0.00 C ATOM 622 C ILE A 36 -1.512 -0.436 3.122 1.00 0.00 C ATOM 623 O ILE A 36 -1.554 -1.579 3.530 1.00 0.00 O ATOM 624 CB ILE A 36 -3.525 0.483 1.972 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.678 1.047 0.823 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.768 1.347 2.166 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.419 0.881 -0.498 1.00 0.00 C ATOM 0 H ILE A 36 -1.829 2.337 2.639 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.282 0.129 4.116 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.822 -0.537 1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.465 2.101 1.000 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.719 0.531 0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.356 1.349 1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.368 0.943 2.981 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.468 2.367 2.407 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.812 1.284 -1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.609 -0.177 -0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.367 1.418 -0.454 1.00 0.00 H new ATOM 639 N GLY A 37 -0.457 0.029 2.528 1.00 0.00 N ATOM 640 CA GLY A 37 0.710 -0.855 2.346 1.00 0.00 C ATOM 641 C GLY A 37 1.998 -0.198 2.814 1.00 0.00 C ATOM 642 O GLY A 37 2.066 0.985 3.078 1.00 0.00 O ATOM 0 H GLY A 37 -0.355 0.976 2.164 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.553 -1.781 2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.801 -1.124 1.294 1.00 0.00 H new ATOM 646 N TYR A 38 3.033 -0.982 2.867 1.00 0.00 N ATOM 647 CA TYR A 38 4.375 -0.461 3.259 1.00 0.00 C ATOM 648 C TYR A 38 5.430 -1.107 2.353 1.00 0.00 C ATOM 649 O TYR A 38 5.311 -2.261 1.990 1.00 0.00 O ATOM 650 CB TYR A 38 4.577 -0.881 4.715 1.00 0.00 C ATOM 651 CG TYR A 38 5.985 -0.537 5.149 1.00 0.00 C ATOM 652 CD1 TYR A 38 6.274 0.740 5.650 1.00 0.00 C ATOM 653 CD2 TYR A 38 7.003 -1.495 5.051 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.578 1.057 6.050 1.00 0.00 C ATOM 655 CE2 TYR A 38 8.305 -1.177 5.453 1.00 0.00 C ATOM 656 CZ TYR A 38 8.592 0.098 5.952 1.00 0.00 C ATOM 657 OH TYR A 38 9.877 0.410 6.349 1.00 0.00 O ATOM 0 H TYR A 38 3.009 -1.979 2.652 1.00 0.00 H new ATOM 0 HA TYR A 38 4.457 0.621 3.157 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.854 -0.374 5.354 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.403 -1.952 4.823 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.491 1.480 5.727 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.783 -2.479 4.665 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.801 2.041 6.434 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.089 -1.916 5.378 1.00 0.00 H new ATOM 0 HH TYR A 38 10.455 -0.373 6.231 1.00 0.00 H new ATOM 667 N TYR A 39 6.454 -0.390 1.979 1.00 0.00 N ATOM 668 CA TYR A 39 7.488 -1.004 1.094 1.00 0.00 C ATOM 669 C TYR A 39 8.892 -0.552 1.533 1.00 0.00 C ATOM 670 O TYR A 39 9.172 0.629 1.604 1.00 0.00 O ATOM 671 CB TYR A 39 7.181 -0.486 -0.316 1.00 0.00 C ATOM 672 CG TYR A 39 8.249 -0.970 -1.275 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.741 -2.279 -1.176 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.749 -0.110 -2.260 1.00 0.00 C ATOM 675 CE1 TYR A 39 9.731 -2.726 -2.059 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.739 -0.559 -3.144 1.00 0.00 C ATOM 677 CZ TYR A 39 10.230 -1.865 -3.042 1.00 0.00 C ATOM 678 OH TYR A 39 11.205 -2.305 -3.915 1.00 0.00 O ATOM 0 H TYR A 39 6.620 0.581 2.243 1.00 0.00 H new ATOM 0 HA TYR A 39 7.468 -2.093 1.138 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.201 -0.837 -0.639 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.145 0.603 -0.315 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.356 -2.944 -0.417 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.372 0.899 -2.338 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.109 -3.735 -1.981 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.123 0.104 -3.905 1.00 0.00 H new ATOM 0 HH TYR A 39 11.439 -1.583 -4.535 1.00 0.00 H new ATOM 688 N ASP A 40 9.778 -1.465 1.831 1.00 0.00 N ATOM 689 CA ASP A 40 11.148 -1.047 2.263 1.00 0.00 C ATOM 690 C ASP A 40 12.218 -1.967 1.658 1.00 0.00 C ATOM 691 O ASP A 40 12.714 -2.856 2.322 1.00 0.00 O ATOM 692 CB ASP A 40 11.136 -1.168 3.787 1.00 0.00 C ATOM 693 CG ASP A 40 12.440 -0.607 4.357 1.00 0.00 C ATOM 694 OD1 ASP A 40 13.485 -0.921 3.812 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.372 0.126 5.329 1.00 0.00 O ATOM 0 H ASP A 40 9.617 -2.472 1.795 1.00 0.00 H new ATOM 0 HA ASP A 40 11.387 -0.036 1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.285 -0.626 4.198 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.020 -2.212 4.078 1.00 0.00 H new ATOM 838 N LEU A 49 8.112 -6.327 2.108 1.00 0.00 N ATOM 839 CA LEU A 49 6.727 -5.940 1.711 1.00 0.00 C ATOM 840 C LEU A 49 5.759 -6.115 2.882 1.00 0.00 C ATOM 841 O LEU A 49 5.680 -7.167 3.487 1.00 0.00 O ATOM 842 CB LEU A 49 6.359 -6.905 0.584 1.00 0.00 C ATOM 843 CG LEU A 49 5.077 -6.429 -0.102 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.168 -6.709 -1.600 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.882 -7.180 0.488 1.00 0.00 C ATOM 0 HA LEU A 49 6.670 -4.895 1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.172 -6.961 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.218 -7.909 0.983 1.00 0.00 H new ATOM 0 HG LEU A 49 4.951 -5.358 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.255 -6.370 -2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.023 -6.177 -2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.291 -7.780 -1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.966 -6.844 0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.008 -8.250 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.819 -6.981 1.558 1.00 0.00 H new ATOM 857 N LYS A 50 5.011 -5.097 3.196 1.00 0.00 N ATOM 858 CA LYS A 50 4.032 -5.200 4.315 1.00 0.00 C ATOM 859 C LYS A 50 2.738 -4.494 3.916 1.00 0.00 C ATOM 860 O LYS A 50 2.649 -3.283 3.969 1.00 0.00 O ATOM 861 CB LYS A 50 4.692 -4.480 5.492 1.00 0.00 C ATOM 862 CG LYS A 50 5.031 -5.491 6.587 1.00 0.00 C ATOM 863 CD LYS A 50 6.535 -5.454 6.868 1.00 0.00 C ATOM 864 CE LYS A 50 7.008 -6.840 7.312 1.00 0.00 C ATOM 865 NZ LYS A 50 8.415 -6.937 6.835 1.00 0.00 N ATOM 0 H LYS A 50 5.034 -4.193 2.724 1.00 0.00 H new ATOM 0 HA LYS A 50 3.784 -6.232 4.565 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.597 -3.972 5.159 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.023 -3.714 5.884 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.475 -5.259 7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.733 -6.493 6.277 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.075 -5.144 5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.753 -4.719 7.643 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.950 -6.949 8.395 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.389 -7.626 6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.809 -7.862 7.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.438 -6.837 5.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.982 -6.181 7.269 1.00 0.00 H new ATOM 879 N VAL A 51 1.736 -5.224 3.500 1.00 0.00 N ATOM 880 CA VAL A 51 0.477 -4.548 3.088 1.00 0.00 C ATOM 881 C VAL A 51 -0.747 -5.160 3.759 1.00 0.00 C ATOM 882 O VAL A 51 -0.891 -6.362 3.864 1.00 0.00 O ATOM 883 CB VAL A 51 0.414 -4.708 1.547 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.025 -4.945 1.054 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.918 -3.432 0.893 1.00 0.00 C ATOM 0 H VAL A 51 1.736 -6.242 3.429 1.00 0.00 H new ATOM 0 HA VAL A 51 0.474 -3.501 3.390 1.00 0.00 H new ATOM 0 HB VAL A 51 1.028 -5.569 1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.025 -5.052 -0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.420 -5.854 1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.650 -4.097 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.876 -3.538 -0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.292 -2.594 1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.947 -3.248 1.200 1.00 0.00 H new ATOM 895 N ASP A 52 -1.661 -4.322 4.139 1.00 0.00 N ATOM 896 CA ASP A 52 -2.923 -4.811 4.720 1.00 0.00 C ATOM 897 C ASP A 52 -3.884 -4.996 3.551 1.00 0.00 C ATOM 898 O ASP A 52 -4.799 -4.220 3.372 1.00 0.00 O ATOM 899 CB ASP A 52 -3.396 -3.692 5.643 1.00 0.00 C ATOM 900 CG ASP A 52 -4.015 -4.297 6.905 1.00 0.00 C ATOM 901 OD1 ASP A 52 -4.902 -5.124 6.767 1.00 0.00 O ATOM 902 OD2 ASP A 52 -3.589 -3.927 7.986 1.00 0.00 O ATOM 0 H ASP A 52 -1.582 -3.307 4.069 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.840 -5.747 5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.558 -3.048 5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.128 -3.068 5.130 1.00 0.00 H new ATOM 907 N VAL A 53 -3.622 -5.991 2.725 1.00 0.00 N ATOM 908 CA VAL A 53 -4.461 -6.248 1.498 1.00 0.00 C ATOM 909 C VAL A 53 -5.930 -5.854 1.720 1.00 0.00 C ATOM 910 O VAL A 53 -6.585 -5.385 0.815 1.00 0.00 O ATOM 911 CB VAL A 53 -4.286 -7.759 1.143 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.985 -8.607 2.384 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.547 -8.313 0.462 1.00 0.00 C ATOM 0 H VAL A 53 -2.850 -6.646 2.851 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.132 -5.630 0.663 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.439 -7.821 0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.871 -9.651 2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.063 -8.257 2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.807 -8.517 3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.399 -9.367 0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.399 -8.208 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.738 -7.758 -0.456 1.00 0.00 H new ATOM 923 N GLU A 54 -6.445 -6.004 2.906 1.00 0.00 N ATOM 924 CA GLU A 54 -7.854 -5.593 3.139 1.00 0.00 C ATOM 925 C GLU A 54 -7.993 -4.099 2.851 1.00 0.00 C ATOM 926 O GLU A 54 -8.790 -3.683 2.033 1.00 0.00 O ATOM 927 CB GLU A 54 -8.128 -5.898 4.611 1.00 0.00 C ATOM 928 CG GLU A 54 -8.138 -7.413 4.822 1.00 0.00 C ATOM 929 CD GLU A 54 -9.552 -7.868 5.182 1.00 0.00 C ATOM 930 OE1 GLU A 54 -10.045 -7.444 6.214 1.00 0.00 O ATOM 931 OE2 GLU A 54 -10.119 -8.633 4.420 1.00 0.00 O ATOM 0 H GLU A 54 -5.958 -6.389 3.715 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.561 -6.116 2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.364 -5.437 5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.086 -5.472 4.910 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.801 -7.919 3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.444 -7.685 5.617 1.00 0.00 H new ATOM 938 N ARG A 55 -7.207 -3.294 3.504 1.00 0.00 N ATOM 939 CA ARG A 55 -7.266 -1.827 3.258 1.00 0.00 C ATOM 940 C ARG A 55 -6.730 -1.532 1.858 1.00 0.00 C ATOM 941 O ARG A 55 -7.271 -0.731 1.124 1.00 0.00 O ATOM 942 CB ARG A 55 -6.356 -1.209 4.321 1.00 0.00 C ATOM 943 CG ARG A 55 -7.204 -0.570 5.422 1.00 0.00 C ATOM 944 CD ARG A 55 -7.624 0.833 4.986 1.00 0.00 C ATOM 945 NE ARG A 55 -8.935 0.641 4.305 1.00 0.00 N ATOM 946 CZ ARG A 55 -10.031 0.442 5.001 1.00 0.00 C ATOM 947 NH1 ARG A 55 -10.001 0.409 6.311 1.00 0.00 N ATOM 948 NH2 ARG A 55 -11.166 0.268 4.381 1.00 0.00 N ATOM 0 H ARG A 55 -6.523 -3.589 4.201 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.279 -1.428 3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.707 -1.974 4.747 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.708 -0.459 3.867 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.085 -1.181 5.619 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.636 -0.520 6.351 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.716 1.502 5.841 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.889 1.275 4.313 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.982 0.664 3.286 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.118 0.539 6.804 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.861 0.253 6.837 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.198 0.287 3.362 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.021 0.113 4.916 1.00 0.00 H new ATOM 962 N ALA A 56 -5.679 -2.197 1.469 1.00 0.00 N ATOM 963 CA ALA A 56 -5.132 -1.976 0.115 1.00 0.00 C ATOM 964 C ALA A 56 -6.181 -2.443 -0.904 1.00 0.00 C ATOM 965 O ALA A 56 -6.187 -2.026 -2.049 1.00 0.00 O ATOM 966 CB ALA A 56 -3.841 -2.808 0.072 1.00 0.00 C ATOM 0 H ALA A 56 -5.179 -2.883 2.035 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.909 -0.935 -0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.370 -2.699 -0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.157 -2.459 0.846 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.079 -3.858 0.245 1.00 0.00 H new ATOM 972 N ARG A 57 -7.100 -3.286 -0.480 1.00 0.00 N ATOM 973 CA ARG A 57 -8.161 -3.749 -1.407 1.00 0.00 C ATOM 974 C ARG A 57 -9.343 -2.769 -1.387 1.00 0.00 C ATOM 975 O ARG A 57 -10.106 -2.681 -2.328 1.00 0.00 O ATOM 976 CB ARG A 57 -8.594 -5.123 -0.892 1.00 0.00 C ATOM 977 CG ARG A 57 -9.748 -5.650 -1.748 1.00 0.00 C ATOM 978 CD ARG A 57 -9.256 -6.827 -2.594 1.00 0.00 C ATOM 979 NE ARG A 57 -10.170 -6.859 -3.773 1.00 0.00 N ATOM 980 CZ ARG A 57 -9.962 -7.695 -4.763 1.00 0.00 C ATOM 981 NH1 ARG A 57 -8.945 -8.521 -4.745 1.00 0.00 N ATOM 982 NH2 ARG A 57 -10.781 -7.705 -5.778 1.00 0.00 N ATOM 0 H ARG A 57 -7.152 -3.665 0.465 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.805 -3.804 -2.436 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.755 -5.817 -0.928 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.904 -5.051 0.150 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.574 -5.966 -1.110 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.128 -4.858 -2.393 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.220 -6.687 -2.901 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.299 -7.761 -2.035 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.967 -6.223 -3.810 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.301 -8.520 -3.954 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.797 -9.165 -5.522 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.576 -7.066 -5.798 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.627 -8.352 -6.552 1.00 0.00 H new ATOM 996 N TYR A 58 -9.478 -2.009 -0.328 1.00 0.00 N ATOM 997 CA TYR A 58 -10.580 -1.012 -0.249 1.00 0.00 C ATOM 998 C TYR A 58 -10.395 -0.052 -1.404 1.00 0.00 C ATOM 999 O TYR A 58 -11.293 0.264 -2.160 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.336 -0.287 1.082 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.014 1.074 1.097 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.294 1.220 0.556 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.357 2.185 1.652 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.923 2.471 0.566 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.988 3.435 1.662 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.270 3.576 1.120 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.890 4.808 1.132 1.00 0.00 O ATOM 0 H TYR A 58 -8.866 -2.040 0.488 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.581 -1.440 -0.299 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.714 -0.894 1.905 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.265 -0.165 1.242 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.799 0.366 0.129 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.367 2.075 2.070 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.912 2.582 0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.485 4.290 2.088 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.300 5.467 1.554 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.199 0.406 -1.505 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.830 1.361 -2.563 1.00 0.00 C ATOM 1019 C TRP A 59 -9.037 0.716 -3.911 1.00 0.00 C ATOM 1020 O TRP A 59 -9.727 1.234 -4.763 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.378 1.673 -2.262 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.405 2.400 -0.971 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.903 1.974 0.204 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.052 3.656 -0.715 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.194 2.922 1.176 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.898 3.989 0.645 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.742 4.532 -1.549 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.423 5.172 1.165 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.273 5.722 -1.039 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.114 6.044 0.316 1.00 0.00 C ATOM 0 H TRP A 59 -8.435 0.151 -0.879 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.427 2.272 -2.588 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.785 0.762 -2.190 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.933 2.282 -3.049 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.365 1.051 0.363 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.923 2.842 2.156 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.868 4.292 -2.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.298 5.412 2.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.808 6.395 -1.692 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.524 6.964 0.705 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.498 -0.446 -4.090 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.730 -1.163 -5.370 1.00 0.00 C ATOM 1043 C LEU A 60 -10.248 -1.264 -5.592 1.00 0.00 C ATOM 1044 O LEU A 60 -10.720 -1.421 -6.700 1.00 0.00 O ATOM 1045 CB LEU A 60 -8.117 -2.551 -5.174 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.618 -2.502 -5.470 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.959 -3.792 -4.981 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.399 -2.362 -6.978 1.00 0.00 C ATOM 0 H LEU A 60 -7.910 -0.932 -3.413 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.291 -0.663 -6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.284 -2.891 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.604 -3.270 -5.833 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.176 -1.648 -4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.890 -3.757 -5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.114 -3.895 -3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.403 -4.645 -5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.330 -2.327 -7.189 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.842 -3.216 -7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.868 -1.443 -7.330 1.00 0.00 H new ATOM 1060 N SER A 61 -11.014 -1.164 -4.526 1.00 0.00 N ATOM 1061 CA SER A 61 -12.494 -1.240 -4.650 1.00 0.00 C ATOM 1062 C SER A 61 -13.070 0.100 -5.133 1.00 0.00 C ATOM 1063 O SER A 61 -14.132 0.146 -5.719 1.00 0.00 O ATOM 1064 CB SER A 61 -12.992 -1.556 -3.241 1.00 0.00 C ATOM 1065 OG SER A 61 -13.856 -2.683 -3.290 1.00 0.00 O ATOM 0 H SER A 61 -10.668 -1.033 -3.576 1.00 0.00 H new ATOM 0 HA SER A 61 -12.803 -1.992 -5.376 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.148 -1.759 -2.582 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.520 -0.696 -2.828 1.00 0.00 H new ATOM 0 HG SER A 61 -14.176 -2.889 -2.387 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.385 1.191 -4.895 1.00 0.00 N ATOM 1072 CA VAL A 62 -12.911 2.504 -5.346 1.00 0.00 C ATOM 1073 C VAL A 62 -12.234 2.911 -6.655 1.00 0.00 C ATOM 1074 O VAL A 62 -12.002 4.073 -6.920 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.586 3.505 -4.224 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.060 2.961 -2.875 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.076 3.767 -4.156 1.00 0.00 C ATOM 0 H VAL A 62 -11.489 1.224 -4.410 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.984 2.469 -5.534 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.104 4.439 -4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.824 3.679 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.137 2.799 -2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.557 2.017 -2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.866 4.477 -3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.553 2.832 -3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.735 4.178 -5.106 1.00 0.00 H new ATOM 1087 N GLY A 63 -11.919 1.949 -7.467 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.254 2.250 -8.766 1.00 0.00 C ATOM 1089 C GLY A 63 -9.855 2.811 -8.506 1.00 0.00 C ATOM 1090 O GLY A 63 -9.350 3.618 -9.261 1.00 0.00 O ATOM 0 H GLY A 63 -12.093 0.960 -7.290 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.188 1.346 -9.371 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.846 2.969 -9.332 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.222 2.393 -7.443 1.00 0.00 N ATOM 1095 CA ALA A 64 -7.857 2.907 -7.143 1.00 0.00 C ATOM 1096 C ALA A 64 -6.885 2.499 -8.250 1.00 0.00 C ATOM 1097 O ALA A 64 -6.919 1.389 -8.741 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.466 2.249 -5.821 1.00 0.00 C ATOM 0 H ALA A 64 -9.591 1.720 -6.772 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.831 3.995 -7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.468 2.579 -5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.180 2.532 -5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.470 1.165 -5.939 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.019 3.389 -8.648 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.044 3.051 -9.723 1.00 0.00 C ATOM 1106 C GLN A 65 -3.656 2.802 -9.118 1.00 0.00 C ATOM 1107 O GLN A 65 -2.964 3.735 -8.759 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.017 4.281 -10.631 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.872 4.020 -11.873 1.00 0.00 C ATOM 1110 CD GLN A 65 -7.326 4.400 -11.579 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -7.596 5.141 -10.656 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -8.279 3.920 -12.331 1.00 0.00 N ATOM 0 H GLN A 65 -5.944 4.336 -8.276 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.323 2.148 -10.266 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.394 5.151 -10.093 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.992 4.507 -10.924 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.496 4.601 -12.715 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.809 2.969 -12.157 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.052 3.297 -13.106 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.251 4.168 -12.143 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.287 1.546 -9.019 1.00 0.00 N ATOM 1122 CA PRO A 66 -1.966 1.192 -8.454 1.00 0.00 C ATOM 1123 C PRO A 66 -0.880 1.321 -9.527 1.00 0.00 C ATOM 1124 O PRO A 66 -1.012 0.799 -10.616 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.136 -0.266 -8.046 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.216 -0.807 -8.932 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.053 0.354 -9.408 1.00 0.00 C ATOM 0 HA PRO A 66 -1.666 1.835 -7.627 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.207 -0.821 -8.177 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.412 -0.350 -6.995 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.783 -1.338 -9.780 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.832 -1.523 -8.388 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.207 0.316 -10.486 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.040 0.348 -8.945 1.00 0.00 H new ATOM 1135 N THR A 67 0.195 2.003 -9.234 1.00 0.00 N ATOM 1136 CA THR A 67 1.274 2.143 -10.255 1.00 0.00 C ATOM 1137 C THR A 67 1.883 0.768 -10.557 1.00 0.00 C ATOM 1138 O THR A 67 1.623 -0.202 -9.872 1.00 0.00 O ATOM 1139 CB THR A 67 2.312 3.084 -9.635 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.447 3.161 -10.486 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.739 2.565 -8.265 1.00 0.00 C ATOM 0 H THR A 67 0.372 2.465 -8.342 1.00 0.00 H new ATOM 0 HA THR A 67 0.902 2.541 -11.199 1.00 0.00 H new ATOM 0 HB THR A 67 1.871 4.074 -9.519 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.111 3.764 -10.092 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.477 3.241 -7.833 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.870 2.510 -7.610 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.176 1.572 -8.372 1.00 0.00 H new ATOM 1149 N ASP A 68 2.675 0.676 -11.588 1.00 0.00 N ATOM 1150 CA ASP A 68 3.285 -0.636 -11.957 1.00 0.00 C ATOM 1151 C ASP A 68 4.024 -1.268 -10.771 1.00 0.00 C ATOM 1152 O ASP A 68 4.167 -2.472 -10.695 1.00 0.00 O ATOM 1153 CB ASP A 68 4.266 -0.302 -13.082 1.00 0.00 C ATOM 1154 CG ASP A 68 4.255 -1.423 -14.123 1.00 0.00 C ATOM 1155 OD1 ASP A 68 3.392 -1.394 -14.985 1.00 0.00 O ATOM 1156 OD2 ASP A 68 5.109 -2.289 -14.041 1.00 0.00 O ATOM 0 H ASP A 68 2.929 1.455 -12.195 1.00 0.00 H new ATOM 0 HA ASP A 68 2.529 -1.361 -12.258 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.991 0.644 -13.549 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.270 -0.178 -12.677 1.00 0.00 H new ATOM 1161 N THR A 69 4.502 -0.476 -9.855 1.00 0.00 N ATOM 1162 CA THR A 69 5.240 -1.048 -8.687 1.00 0.00 C ATOM 1163 C THR A 69 4.275 -1.419 -7.561 1.00 0.00 C ATOM 1164 O THR A 69 4.310 -2.512 -7.032 1.00 0.00 O ATOM 1165 CB THR A 69 6.153 0.069 -8.219 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.557 0.862 -9.326 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.384 -0.522 -7.531 1.00 0.00 C ATOM 0 H THR A 69 4.416 0.540 -9.860 1.00 0.00 H new ATOM 0 HA THR A 69 5.781 -1.954 -8.960 1.00 0.00 H new ATOM 0 HB THR A 69 5.612 0.696 -7.511 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.145 1.582 -9.015 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.036 0.285 -7.197 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.071 -1.115 -6.672 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.923 -1.158 -8.233 1.00 0.00 H new ATOM 1175 N ALA A 70 3.417 -0.512 -7.189 1.00 0.00 N ATOM 1176 CA ALA A 70 2.453 -0.799 -6.102 1.00 0.00 C ATOM 1177 C ALA A 70 1.491 -1.870 -6.574 1.00 0.00 C ATOM 1178 O ALA A 70 0.933 -2.611 -5.788 1.00 0.00 O ATOM 1179 CB ALA A 70 1.720 0.519 -5.853 1.00 0.00 C ATOM 0 H ALA A 70 3.345 0.420 -7.596 1.00 0.00 H new ATOM 0 HA ALA A 70 2.931 -1.159 -5.191 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.987 0.383 -5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.438 1.284 -5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.212 0.831 -6.765 1.00 0.00 H new ATOM 1185 N ARG A 71 1.314 -1.979 -7.860 1.00 0.00 N ATOM 1186 CA ARG A 71 0.421 -3.021 -8.375 1.00 0.00 C ATOM 1187 C ARG A 71 1.115 -4.353 -8.157 1.00 0.00 C ATOM 1188 O ARG A 71 0.512 -5.330 -7.762 1.00 0.00 O ATOM 1189 CB ARG A 71 0.246 -2.722 -9.864 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.897 -3.570 -10.423 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.342 -3.004 -11.773 1.00 0.00 C ATOM 1192 NE ARG A 71 -0.985 -4.054 -12.770 1.00 0.00 N ATOM 1193 CZ ARG A 71 -1.096 -3.824 -14.058 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -1.518 -2.666 -14.501 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -0.779 -4.762 -14.909 1.00 0.00 N ATOM 0 H ARG A 71 1.753 -1.388 -8.566 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.552 -3.050 -7.885 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.033 -1.663 -10.011 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.170 -2.939 -10.400 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.573 -4.604 -10.540 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.734 -3.575 -9.725 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.413 -2.800 -11.781 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.836 -2.064 -11.992 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.650 -4.962 -12.447 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.766 -1.928 -13.842 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.599 -2.503 -15.505 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.448 -5.666 -14.572 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.863 -4.591 -15.911 1.00 0.00 H new ATOM 1209 N ARG A 72 2.402 -4.385 -8.376 1.00 0.00 N ATOM 1210 CA ARG A 72 3.144 -5.643 -8.151 1.00 0.00 C ATOM 1211 C ARG A 72 3.110 -5.968 -6.662 1.00 0.00 C ATOM 1212 O ARG A 72 2.931 -7.101 -6.259 1.00 0.00 O ATOM 1213 CB ARG A 72 4.572 -5.368 -8.623 1.00 0.00 C ATOM 1214 CG ARG A 72 4.900 -6.288 -9.800 1.00 0.00 C ATOM 1215 CD ARG A 72 6.297 -5.965 -10.330 1.00 0.00 C ATOM 1216 NE ARG A 72 6.071 -5.405 -11.694 1.00 0.00 N ATOM 1217 CZ ARG A 72 7.033 -4.787 -12.335 1.00 0.00 C ATOM 1218 NH1 ARG A 72 8.221 -4.647 -11.797 1.00 0.00 N ATOM 1219 NH2 ARG A 72 6.805 -4.304 -13.525 1.00 0.00 N ATOM 0 H ARG A 72 2.962 -3.596 -8.699 1.00 0.00 H new ATOM 0 HA ARG A 72 2.719 -6.492 -8.686 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.674 -4.325 -8.922 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.276 -5.536 -7.808 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.852 -7.330 -9.484 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.161 -6.160 -10.591 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.807 -5.247 -9.688 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.921 -6.858 -10.368 1.00 0.00 H new ATOM 0 HE ARG A 72 5.156 -5.504 -12.134 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.407 -5.022 -10.867 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.959 -4.163 -12.309 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.884 -4.409 -13.950 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.548 -3.822 -14.031 1.00 0.00 H new ATOM 1233 N LEU A 73 3.262 -4.968 -5.841 1.00 0.00 N ATOM 1234 CA LEU A 73 3.221 -5.187 -4.379 1.00 0.00 C ATOM 1235 C LEU A 73 1.801 -5.540 -3.968 1.00 0.00 C ATOM 1236 O LEU A 73 1.585 -6.275 -3.027 1.00 0.00 O ATOM 1237 CB LEU A 73 3.665 -3.863 -3.759 1.00 0.00 C ATOM 1238 CG LEU A 73 5.049 -3.491 -4.291 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.269 -1.984 -4.143 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.115 -4.240 -3.490 1.00 0.00 C ATOM 0 H LEU A 73 3.414 -4.001 -6.128 1.00 0.00 H new ATOM 0 HA LEU A 73 3.864 -6.004 -4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.948 -3.078 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.692 -3.949 -2.673 1.00 0.00 H new ATOM 0 HG LEU A 73 5.119 -3.765 -5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.256 -1.721 -4.523 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.508 -1.448 -4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.200 -1.708 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.104 -3.978 -3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.041 -3.963 -2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.960 -5.314 -3.594 1.00 0.00 H new ATOM 1252 N LEU A 74 0.829 -5.059 -4.688 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.564 -5.423 -4.354 1.00 0.00 C ATOM 1254 C LEU A 74 -0.759 -6.880 -4.753 1.00 0.00 C ATOM 1255 O LEU A 74 -1.543 -7.605 -4.178 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.445 -4.500 -5.192 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.581 -3.155 -4.483 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.189 -2.137 -5.444 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -2.492 -3.313 -3.264 1.00 0.00 C ATOM 0 H LEU A 74 0.942 -4.435 -5.487 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.806 -5.315 -3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.009 -4.361 -6.181 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.428 -4.949 -5.337 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.599 -2.810 -4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.288 -1.175 -4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.542 -2.027 -6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.172 -2.481 -5.764 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.590 -2.353 -2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.475 -3.655 -3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.060 -4.043 -2.579 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.007 -7.313 -5.729 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.086 -8.717 -6.177 1.00 0.00 C ATOM 1273 C ARG A 75 0.767 -9.575 -5.249 1.00 0.00 C ATOM 1274 O ARG A 75 0.533 -10.755 -5.076 1.00 0.00 O ATOM 1275 CB ARG A 75 0.502 -8.706 -7.587 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.360 -9.563 -8.510 1.00 0.00 C ATOM 1277 CD ARG A 75 0.447 -10.776 -8.978 1.00 0.00 C ATOM 1278 NE ARG A 75 0.269 -11.793 -7.900 1.00 0.00 N ATOM 1279 CZ ARG A 75 1.130 -12.771 -7.746 1.00 0.00 C ATOM 1280 NH1 ARG A 75 2.158 -12.898 -8.547 1.00 0.00 N ATOM 1281 NH2 ARG A 75 0.955 -13.633 -6.782 1.00 0.00 N ATOM 0 H ARG A 75 0.666 -6.739 -6.237 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.099 -9.119 -6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.550 -7.684 -7.963 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.523 -9.088 -7.569 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.258 -9.890 -7.987 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.687 -8.977 -9.369 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.083 -11.147 -9.936 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.499 -10.523 -9.113 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.534 -11.727 -7.274 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.299 -12.231 -9.305 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.818 -13.664 -8.413 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.154 -13.543 -6.156 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.619 -14.397 -6.654 1.00 0.00 H new ATOM 1295 N GLN A 76 1.768 -8.981 -4.655 1.00 0.00 N ATOM 1296 CA GLN A 76 2.651 -9.735 -3.748 1.00 0.00 C ATOM 1297 C GLN A 76 2.064 -9.773 -2.348 1.00 0.00 C ATOM 1298 O GLN A 76 2.128 -10.770 -1.657 1.00 0.00 O ATOM 1299 CB GLN A 76 3.957 -8.960 -3.796 1.00 0.00 C ATOM 1300 CG GLN A 76 5.123 -9.893 -3.486 1.00 0.00 C ATOM 1301 CD GLN A 76 5.578 -10.564 -4.781 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.722 -11.769 -4.838 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.810 -9.828 -5.834 1.00 0.00 N ATOM 0 H GLN A 76 2.006 -7.995 -4.767 1.00 0.00 H new ATOM 0 HA GLN A 76 2.783 -10.778 -4.035 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.089 -8.513 -4.781 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.932 -8.142 -3.076 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.946 -9.333 -3.042 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.820 -10.645 -2.758 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.689 -8.816 -5.786 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.112 -10.265 -6.705 1.00 0.00 H new ATOM 1312 N ALA A 77 1.469 -8.705 -1.940 1.00 0.00 N ATOM 1313 CA ALA A 77 0.844 -8.675 -0.596 1.00 0.00 C ATOM 1314 C ALA A 77 -0.331 -9.666 -0.549 1.00 0.00 C ATOM 1315 O ALA A 77 -0.865 -9.957 0.503 1.00 0.00 O ATOM 1316 CB ALA A 77 0.348 -7.241 -0.416 1.00 0.00 C ATOM 0 H ALA A 77 1.385 -7.843 -2.478 1.00 0.00 H new ATOM 0 HA ALA A 77 1.539 -8.960 0.194 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.128 -7.140 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.191 -6.553 -0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.373 -7.005 -1.198 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.737 -10.188 -1.683 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.871 -11.156 -1.700 1.00 0.00 C ATOM 1324 C GLY A 78 -3.196 -10.398 -1.785 1.00 0.00 C ATOM 1325 O GLY A 78 -4.103 -10.633 -1.014 1.00 0.00 O ATOM 0 H GLY A 78 -0.329 -9.983 -2.595 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.772 -11.831 -2.550 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.850 -11.771 -0.800 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.318 -9.484 -2.713 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.585 -8.715 -2.831 1.00 0.00 C ATOM 1331 C VAL A 79 -5.443 -9.240 -3.983 1.00 0.00 C ATOM 1332 O VAL A 79 -6.585 -9.611 -3.796 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.165 -7.277 -3.097 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.405 -6.382 -3.135 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.224 -6.798 -1.988 1.00 0.00 C ATOM 0 H VAL A 79 -2.596 -9.240 -3.390 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.189 -8.805 -1.928 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.648 -7.225 -4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.104 -5.352 -3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.072 -6.718 -3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.923 -6.438 -2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.926 -5.768 -2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.737 -6.852 -1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.338 -7.433 -1.963 1.00 0.00 H new